SCHEMBL30869371

SCHEMBL30869371

CC(C)c1cc(C(C)C)c(-c2cccc(P)c2)c(C(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.50
▸ GABRA1 P14867 2/20 0.36
▸ GABRB2 P47870 2/20 0.36
▸ FABP3 P05413 2/20 0.35
▸ FABP4 P15090 2/20 0.35
▸ FABP5 Q01469 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ FAAH O00519 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRG2 P18507 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2727228 0.79 ROCK2 (0.49) ROCK2GABRA1GABRB2FABP3FABP4
Phosphine SCHEMBL27043067 0.77 ROCK2 (0.48) ROCK2GABRA1GABRB2FABP3FABP4
SCHEMBL29424818 0.77 ROCK2 (0.48) ROCK2GABRA1GABRB2FABP3FABP4
SCHEMBL30842176 0.76 ROCK2 (0.48) ROCK2GABRA1GABRB2FABP3FABP4
SCHEMBL30762275 0.75 RXRA (0.48) ROCK2GABRA1FABP3FABP4RXRA
SCHEMBL30317598 0.74 ROCK2 (0.39) ROCK2GABRA1GABRB2FABP3FABP4
Carbimide SCHEMBL27867638 0.73 ROCK2 (0.44) ROCK2GABRA1GABRB2FABP3FABP4
Hydrochloric Acid SCHEMBL21331878 0.73 ROCK2 (0.38) ROCK2GABRA1GABRB2FABP3FABP4
SCHEMBL31547997 0.72 ROCK2 (0.45) ROCK2GABRA1GABRB2FABP3FABP4
SCHEMBL18150128 0.72 ROCK2 (0.58) ROCK2GABRA1GABRB2FABP3FABP4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174683-A1 MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2024-05-30 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240174683-A1 MAP4K1 INHIBITORS MAP3K4, MAP4K4, MAP4K1 ROCK2 298/4885GABRA1 4662/4885GABRB2 4653/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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